methyl 5-methyl-1H-indole-3-carboxylate

C11H11NO2 — CID 2759866

IUPACmethyl 5-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C11H11NO2/c1-7-3-4-10-8(5-7)9(6-12-10)11(13)14-2/h3-6,12H,1-2H3
InChIKeyZECAAQDHFZNFPB-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.26
Rot. Bonds1

About methyl 5-methyl-1H-indole-3-carboxylate

methyl 5-methyl-1H-indole-3-carboxylate (PubChem CID 2759866) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 5-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1H-indole-3-carboxylate
PubChem CID2759866
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 5-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C11H11NO2/c1-7-3-4-10-8(5-7)9(6-12-10)11(13)14-2/h3-6,12H,1-2H3
InChIKeyZECAAQDHFZNFPB-UHFFFAOYSA-N
XLogP2.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1H-indole-3-carboxylate (CID 2759866) is methyl 5-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2ccc(C)cc12.
What is the InChIKey of methyl 5-methyl-1H-indole-3-carboxylate?
The InChIKey is ZECAAQDHFZNFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-3-4-10-8(5-7)9(6-12-10)11(13)14-2/h3-6,12H,1-2H3.
What are the key properties of methyl 5-methyl-1H-indole-3-carboxylate?
methyl 5-methyl-1H-indole-3-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 2759866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).